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Home > Imidazoles > 188299-91-4
188299-91-4 | [2,5'-Bi-1H-benzimidazole]-2'-methanol, 4',7'-dimethoxy-1'-methyl-6-(4-methyl-1-piperazinyl)-
CAS No: 188299-91-4 Catalog No: AG002GSO MDL No:
Product Description
Catalog Number:
AG002GSO
Chemical Name:
[2,5'-Bi-1H-benzimidazole]-2'-methanol, 4',7'-dimethoxy-1'-methyl-6-(4-methyl-1-piperazinyl)-
CAS Number:
188299-91-4
Molecular Formula:
C23H28N6O3
Molecular Weight:
436.5068
IUPAC Name:
[4,7-dimethoxy-1-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]benzimidazol-2-yl]methanol
InChI:
InChI=1S/C23H28N6O3/c1-27-7-9-29(10-8-27)14-5-6-16-17(11-14)25-23(24-16)15-12-18(31-3)21-20(22(15)32-4)26-19(13-30)28(21)2/h5-6,11-12,30H,7-10,13H2,1-4H3,(H,24,25)
InChI Key:
RKTORUZJTSNHIX-UHFFFAOYSA-N
SMILES:
COc1c(cc(c2c1nc(n2C)CO)OC)c1nc2c([nH]1)cc(cc2)N1CCN(CC1)C
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.222g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
436.516g/mol
Monoisotopic Mass:
436.222g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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